SCHEMBL20924853

SCHEMBL20924853

CCOC(=O)/C(O)=C/C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
KMT2A Q03164 4/20 0.50
MAOB P27338 3/20 0.50
MEN1 O00255 2/20 0.50
MAOA P21397 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP1B1 Q16678 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.45
KCNJ1 P48048 1/20 0.45
KCNH2 Q12809 1/20 0.45
MAPK1 P28482 1/20 0.45
PKM P14618 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
CES1 P23141 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28627286 0.86 MAOB (0.50) MAPTKMT2AMAOBMEN1MAOA
SCHEMBL6115747 0.82 ALDH1A1 (0.48) MAPTKMT2AMAOBMEN1TDP1
SCHEMBL6115744 0.82 ALDH1A1 (0.48) MAPTKMT2AMAOBMEN1TDP1
SCHEMBL15347691 0.81 MAPT (0.50) MAPTKMT2AMAOBMEN1TDP1
SCHEMBL3578987 0.81 MAPT (0.54) MAPTKMT2AMEN1TDP1ALDH1A1
SCHEMBL3578988 0.81 MAPT (0.54) MAPTKMT2AMEN1TDP1ALDH1A1
SCHEMBL4016111 0.81 MAPT (0.54) MAPTKMT2AMEN1TDP1ALDH1A1
SCHEMBL14390483 0.80 SMN1; SMN2 (0.48) MAPTKMT2AMAOBMEN1MAOA
SCHEMBL28977277 0.80 MAPT (0.53) MAPTKMT2AMAOBMEN1TDP1
SCHEMBL934865 0.80 ALDH1A1 (0.49) MAPTKMT2AMAOBMEN1MAOA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3473098-A1 COMPOSITION FOR REGULATING PLANT GROWTH, METHOD FOR TREATING PLANTS THEREWITH, AND ACTIVE INGREDIENT THEREOF Gorbunov, Sergei Valeryevich (RU) 2019-04-24 EP disclosed